UCSF

ZINC28539128

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.14 -1.86 -51.19 5 4 1 71 259.757 7
Hi High (pH 8-9.5) 0.14 -0.27 -31.57 5 4 1 71 259.757 7
Mid Mid (pH 6-8) 0.14 0.04 -120.29 6 4 2 73 260.765 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )